General Information of the Compound
| Compound ID |
CP0475799
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| Compound Name |
(2S,3R,4R,5S,6R)-2-(3-((5-(Butylthio)thiazol-2-yl)methyl)-4-chlorophenyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol
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| Structure |
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| Formula |
C20H26ClNO5S2
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| Molecular Weight |
460.017
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| Canonical SMILES |
CCCCSc1cnc(Cc2cc(ccc2Cl)[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)s1
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| InChI |
InChI=1S/C20H26ClNO5S2/c1-2-3-6-28-16-9-22-15(29-16)8-12-7-11(4-5-13(12)21)20-19(26)18(25)17(24)14(10-23)27-20/h4-5,7,9,14,17-20,23-26H,2-3,6,8,10H2,1H3/t14-,17-,18+,19-,20+/m1/s1
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| InChIKey |
ATPKOTBUCBMKCO-QSWMPLQWSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound